CyLammps is a python library used to analyze molecular dynamics simulations. Simulations are produced by LAMMPS. All the quantity calculated are really important to study the mechanical properties of amorphous materials. Among the others there is the coarse-grained stress and the stress spatial autocorrelation functions.

I used Cython as a programming language in order to translate the code into an optimized C code and to compile it as a Python extension module. This allows me to obtain very fast program execution and to preserve the advantages of Python.

To compile the extension in the current directory do:

python setup.py build_ext --inplace

Then, to import the extension module in your python code use:

from CyLammps import *

This code was used quite a lot by me in the following papers:

1. Plastic ridge formation in a compressed thin amorphous film

2. Neural Networks Reveal the Impact of the Vibrational Dynamics in the Prediction of the Long-Time Mobility of Molecular Glassformers

3. Nanoscale Elastoplastic Wrinkling of Ultrathin Molecular Films